2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine

C13H31N3 — CID 65382937

IUPAC2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine
SMILESCCC(CC)C(CN)NCCN(CC)CC
InChIInChI=1S/C13H31N3/c1-5-12(6-2)13(11-14)15-9-10-16(7-3)8-4/h12-13,15H,5-11,14H2,1-4H3
InChIKeyVFVUYHDJPRQJAM-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.68
Rot. Bonds10

About 2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine

2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine (PubChem CID 65382937) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine
PubChem CID65382937
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine
SMILESCCC(CC)C(CN)NCCN(CC)CC
InChIInChI=1S/C13H31N3/c1-5-12(6-2)13(11-14)15-9-10-16(7-3)8-4/h12-13,15H,5-11,14H2,1-4H3
InChIKeyVFVUYHDJPRQJAM-UHFFFAOYSA-N
XLogP1.68
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine
CID 65385472
1-N-[2-(diethylamino)ethyl]-1-N',1-N'-dimethylethane-1,1,2-triamine
CID 123998123
3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine
CID 65386054
1-cyclopropyl-N-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 65385048
2-[2-(diethylamino)ethylamino]-3-ethylpentanoic acid
CID 61318115
2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine
CID 5239027
N-(1-chloro-4-methylpentan-3-yl)-N',N'-diethylethane-1,2-diamine
CID 106353902
N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441031
N',N'-diethyl-N-[(2R)-1-methoxypropan-2-yl]ethane-1,2-diamine
CID 28571173
N,N-diethyl-2-hydrazinylethanamine
CID 3028735
N'-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-N'-propylethane-1,2-diamine
CID 115726254
4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide
CID 66430169

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine?
The IUPAC name of 2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine (CID 65382937) is 2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine is CCC(CC)C(CN)NCCN(CC)CC.
What is the InChIKey of 2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine?
The InChIKey is VFVUYHDJPRQJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-5-12(6-2)13(11-14)15-9-10-16(7-3)8-4/h12-13,15H,5-11,14H2,1-4H3.
What are the key properties of 2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine?
2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.68, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine is sourced from PubChem (CID 65382937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).